2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide

C15H20N4O — CID 11960736

IUPAC2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC1(C)c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C15H20N4O/c1-9(2)19-8-7-15(19,3)14-17-11-6-4-5-10(13(16)20)12(11)18-14/h4-6,9H,7-8H2,1-3H3,(H2,16,20)(H,17,18)
InChIKeyGVDAQOCOWNDZSS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.99
Rot. Bonds3

About 2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide

2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11960736) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11960736
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC1(C)c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C15H20N4O/c1-9(2)19-8-7-15(19,3)14-17-11-6-4-5-10(13(16)20)12(11)18-14/h4-6,9H,7-8H2,1-3H3,(H2,16,20)(H,17,18)
InChIKeyGVDAQOCOWNDZSS-UHFFFAOYSA-N
XLogP1.99
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
CID 25229833
6-chloro-2-[(2S)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
CID 11961097
2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 11960920
2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 25194562
3-(4-carbamoyl-1H-benzimidazol-2-yl)-3-methylpyrrolidine-1-carboxylic acid
CID 66751111
2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide
CID 11960921
2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 25194781
2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide
CID 25229938
2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 11960832
2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
CID 11960018
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide
CID 25183353
2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 18428049

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide (CID 11960736) is 2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide is CC(C)N1CCC1(C)c1nc2c(C(N)=O)cccc2[nH]1.
What is the InChIKey of 2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is GVDAQOCOWNDZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9(2)19-8-7-15(19,3)14-17-11-6-4-5-10(13(16)20)12(11)18-14/h4-6,9H,7-8H2,1-3H3,(H2,16,20)(H,17,18).
What are the key properties of 2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide?
2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).